These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

170 related articles for article (PubMed ID: 28125221)

  • 1. 3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.
    McGuire R; Verhoeven S; Vass M; Vriend G; de Esch IJ; Lusher SJ; Leurs R; Ridder L; Kooistra AJ; Ritschel T; de Graaf C
    J Chem Inf Model; 2017 Feb; 57(2):115-121. PubMed ID: 28125221
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery.
    Kooistra AJ; Vass M; McGuire R; Leurs R; de Esch IJP; Vriend G; Verhoeven S; de Graaf C
    ChemMedChem; 2018 Mar; 13(6):614-626. PubMed ID: 29337438
    [TBL] [Abstract][Full Text] [Related]  

  • 3. myChEMBL: a virtual machine implementation of open data and cheminformatics tools.
    Ochoa R; Davies M; Papadatos G; Atkinson F; Overington JP
    Bioinformatics; 2014 Jan; 30(2):298-300. PubMed ID: 24262214
    [TBL] [Abstract][Full Text] [Related]  

  • 4. VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.
    Gally JM; Bourg S; Do QT; Aci-Sèche S; Bonnet P
    Mol Inform; 2017 Oct; 36(10):. PubMed ID: 28586180
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Enalos Suite of Tools: Enhancing Cheminformatics and Nanoinfor - matics through KNIME.
    Afantitis A; Tsoumanis A; Melagraki G
    Curr Med Chem; 2020; 27(38):6523-6535. PubMed ID: 32718281
    [TBL] [Abstract][Full Text] [Related]  

  • 6. kinDOCK: a tool for comparative docking of protein kinase ligands.
    Martin L; Catherinot V; Labesse G
    Nucleic Acids Res; 2006 Jul; 34(Web Server issue):W325-9. PubMed ID: 16845019
    [TBL] [Abstract][Full Text] [Related]  

  • 7. NALDB: nucleic acid ligand database for small molecules targeting nucleic acid.
    Kumar Mishra S; Kumar A
    Database (Oxford); 2016; 2016():. PubMed ID: 26896846
    [TBL] [Abstract][Full Text] [Related]  

  • 8. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
    Wei NN; Hamza A
    J Chem Inf Model; 2014 Jan; 54(1):338-46. PubMed ID: 24328054
    [TBL] [Abstract][Full Text] [Related]  

  • 9. From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library.
    Bietz S; Inhester T; Lauck F; Sommer K; von Behren MM; Fährrolfes R; Flachsenberg F; Meyder A; Nittinger E; Otto T; Hilbig M; Schomburg KT; Volkamer A; Rarey M
    J Biotechnol; 2017 Nov; 261():207-214. PubMed ID: 28610996
    [TBL] [Abstract][Full Text] [Related]  

  • 10. CDK-Taverna: an open workflow environment for cheminformatics.
    Kuhn T; Willighagen EL; Zielesny A; Steinbeck C
    BMC Bioinformatics; 2010 Mar; 11():159. PubMed ID: 20346188
    [TBL] [Abstract][Full Text] [Related]  

  • 11. MolTalk--a programming library for protein structures and structure analysis.
    Diemand AV; Scheib H
    BMC Bioinformatics; 2004 Apr; 5():39. PubMed ID: 15096277
    [TBL] [Abstract][Full Text] [Related]  

  • 12. GPCRdb: an information system for G protein-coupled receptors.
    Isberg V; Mordalski S; Munk C; Rataj K; Harpsøe K; Hauser AS; Vroling B; Bojarski AJ; Vriend G; Gloriam DE
    Nucleic Acids Res; 2016 Jan; 44(D1):D356-64. PubMed ID: 26582914
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular Rift: Virtual Reality for Drug Designers.
    Norrby M; Grebner C; Eriksson J; Boström J
    J Chem Inf Model; 2015 Nov; 55(11):2475-84. PubMed ID: 26558887
    [TBL] [Abstract][Full Text] [Related]  

  • 14. High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators.
    Friedrich NO; Meyder A; de Bruyn Kops C; Sommer K; Flachsenberg F; Rarey M; Kirchmair J
    J Chem Inf Model; 2017 Mar; 57(3):529-539. PubMed ID: 28206754
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Chembench: A Publicly Accessible, Integrated Cheminformatics Portal.
    Capuzzi SJ; Kim IS; Lam WI; Thornton TE; Muratov EN; Pozefsky D; Tropsha A
    J Chem Inf Model; 2017 Feb; 57(2):105-108. PubMed ID: 28045544
    [TBL] [Abstract][Full Text] [Related]  

  • 16. MB-Isoster: A software for bioisosterism simulation.
    Elias TC; de Oliveira HCB; da Silveira NJF
    J Comput Chem; 2018 Nov; 39(29):2481-2487. PubMed ID: 30318630
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The Light and Dark Sides of Virtual Screening: What Is There to Know?
    Gimeno A; Ojeda-Montes MJ; Tomás-Hernández S; Cereto-Massagué A; Beltrán-Debón R; Mulero M; Pujadas G; Garcia-Vallvé S
    Int J Mol Sci; 2019 Mar; 20(6):. PubMed ID: 30893780
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Molecular interaction fingerprint approaches for GPCR drug discovery.
    Vass M; Kooistra AJ; Ritschel T; Leurs R; de Esch IJ; de Graaf C
    Curr Opin Pharmacol; 2016 Oct; 30():59-68. PubMed ID: 27479316
    [TBL] [Abstract][Full Text] [Related]  

  • 19. GPCRDB: information system for G protein-coupled receptors.
    Vroling B; Sanders M; Baakman C; Borrmann A; Verhoeven S; Klomp J; Oliveira L; de Vlieg J; Vriend G
    Nucleic Acids Res; 2011 Jan; 39(Database issue):D309-19. PubMed ID: 21045054
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Strategies for designing GPCR-focused libraries and screening sets.
    Jimonet P; Jäger R
    Curr Opin Drug Discov Devel; 2004 May; 7(3):325-33. PubMed ID: 15216936
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.